SCHEMBL5099764

SCHEMBL5099764

Cc1cc(NC(=O)Cc2cc(C#N)ccc2OCc2ccccc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.46
SLC6A9 P48067 1/20 0.45
CYP19A1 P11511 1/20 0.42
LMNA P02545 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
P2RX4 Q99571 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
AVPR2 P30518 1/20 0.41
PPIA P62937 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.39
MCHR1 Q99705 1/20 0.39
PREP P48147 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7126958 0.91 MET (0.46) METSLC6A9CYP19A1LMNAP2RX4
SCHEMBL7123540 0.90 HPGD (0.49) METSLC6A9LMNAMRGPRX4P2RX4
SCHEMBL7113075 0.90 MET (0.46) METSLC6A9CYP19A1LMNAP2RX4
SCHEMBL5093181 0.89 SLC6A9 (0.45) METSLC6A9MRGPRX4NPC1RAB9A
SCHEMBL7124454 0.88 MET (0.45) METSLC6A9LMNAMRGPRX4P2RX4
SCHEMBL7127088 0.88 MRGPRX4 (0.49) METCYP19A1LMNAMRGPRX4P2RX4
SCHEMBL5091241 0.87 ALDH1A1 (0.45) LMNAALDH1A1ATM
SCHEMBL7160217 0.87 P2RX4 (0.44) METP2RX4NPC1RAB9AAVPR2
SCHEMBL7117549 0.86 SPHK1 (0.47) METCYP19A1LMNAMRGPRX4P2RX4
SCHEMBL7122185 0.85 ALDH1A1 (0.41) METLMNAAVPR2ALDH1A1ATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US disclosed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 US disclosed
EP-1206446-B1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-26 EP disclosed
EP-1360170-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-12 EP disclosed
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062748-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO disclosed
EP-1206446-A1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS Boehringer Ingelheim Pharma KG (DE) 2002-05-22 EP disclosed
WO-2001010823-A1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-02-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 MET 2804/4885SLC6A9 2754/4885CYP19A1 89/4885
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity SERPINC1, TFPI, F2 MET 1827/4885SLC6A9 4224/4885CYP19A1 1130/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.